General Information of the Compound
| Compound ID |
CP0881662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-N-[3-(3-methoxyphenyl)-3-phenyl-2-propenyl]cyclobutancarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO2
|
||||||||||||||||||
| Molecular Weight |
321.42
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(/C(=C\CNC(=O)C2CCC2)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO2/c1-24-19-12-6-11-18(15-19)20(16-7-3-2-4-8-16)13-14-22-21(23)17-9-5-10-17/h2-4,6-8,11-13,15,17H,5,9-10,14H2,1H3,(H,22,23)/b20-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKVTZNVDXILPSZ-MOSHPQCFSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B